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2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-4-hydroxy-8-(6-hydroxy-1,5-dimethylhexyl)-3-methox y-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
SpectraBase Compound ID FJrePbJNXrO
InChI InChI=1S/C22H34O5/c1-13(12-23)7-6-8-14(2)16-10-9-15(3)19-17(16)11-18(22(25)27-5)21(26-4)20(19)24/h11,13-16,23-24H,6-10,12H2,1-5H3/t13-,14?,15?,16?/m0/s1
InChIKey YQLHNDCUMZDADZ-CUUNVARJSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxA1AAJirZk
Name 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-4-hydroxy-8-(6-hydroxy-1,5-dimethylhexyl)-3-methox y-5-methyl-, methyl ester, [5R-[5.alpha.,8.beta.(1S*,5S*)]]-
CAS Registry Number 80144-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-13(12-23)7-6-8-14(2)16-10-9-15(3)19-17(16)11-18(22(25)27-5)21(26-4)20(19)24/h11,13-16,23-24H,6-10,12H2,1-5H3/t13-,14?,15?,16?/m0/s1
InChIKey YQLHNDCUMZDADZ-CUUNVARJSA-N
Molecular Weight 378.509 g/mol
SMILES Oc1c(c(cc2C(C(CCC[C@@](CO)(C)[H])C)CCC(c12)C)C(=O)OC)OC
SPLASH splash10-0002-0090000000-c525b9cd52070f5012cb
Source of Spectrum B-34-1955-0
Synonyms Methyl (15S)-8,16-dihydroxy-7-methoxyserrulatan-19-oate Methyl 4-hydroxy-8-[(5S)-6-hydroxy-1,5-dimethylhexyl]-3-methoxy-5-methyl-5,6,7,8-tetrahydro-2-naphthalenecarboxylate
Wiley ID 1358874